SCHEMBL615091

SCHEMBL615091

N#CSc1ccc2nc(N(C(=O)O)c3ccccc3)sc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
KDM4E B2RXH2 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
TP53 P04637 3/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MAPT P10636 2/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 1/20 0.34
HTT P42858 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15280050 0.82 SMN1; SMN2 (0.43) LMNASMN1; SMN2NPC1RAB9ATP53
SCHEMBL3405702 0.80 HTT (0.37) LMNASMN1; SMN2NPC1RAB9ATP53
SCHEMBL8076003 0.77 SMN1; SMN2 (0.56) LMNASMN1; SMN2KDM4ENFKB1NFKB2
SCHEMBL2538817 0.75 RAB9A (0.41) LMNASMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL3402361 0.73 CACNA1B (0.42) LMNASMN1; SMN2TP53MAPTNPSR1
SCHEMBL2547704 0.73 NPC1 (0.34) LMNASMN1; SMN2KDM4ENFKB1NFKB2
SCHEMBL1829706 0.72 DYRK1A (0.51) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL12280273 0.70 KMT2A (0.65) LMNASMN1; SMN2KDM4ENFKB1NFKB2
SCHEMBL3410170 0.70 CYP2C9 (0.40) NPC1RAB9AMAPTTSHRHSD17B10
SCHEMBL3409940 0.69 MET (0.65) KDM4ECYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546393-B2 6-triazolopyridazine sulfanyl benzothiazole derivatives as MET inhibitors SANOFI (FR) 2013-10-01 US disclosed
US-20120040987-A1 DERIVATIVES OF 6-(6-NH-SUBSTITUTED-TRIAZOLOPYRIDAZINE-SULFANYL) BENZOTHIAZOLES AND BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS SANOFI (FR) 2012-02-16 US disclosed
US-20110263593-A1 NOVEL IMIDAZO[1,2-a]PYRIMIDINE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE, IN PARTICULAR AS MET INHIBITORS SANOFI-AVENTIS (FR) 2011-10-27 US disclosed
US-20110257171-A1 NOVEL IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS MET INHIBITORS SANOFI-AVENTIS (FR) 2011-10-20 US disclosed
US-20100298315-A1 NOVEL 6-TRIAZOLOPYRIDAZINESULFANYL BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCTION THEREOF AND APPLICATION AS MEDICAMENTS AND PHARMNACEUTICAL COMPOSITIONS AND NOVEL USE AS MET INHIBITORS SANOFI-AVENTIS (FR) 2010-11-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120040987-A1 DERIVATIVES OF 6-(6-NH-SUBSTITUTED-TRIAZOLOPYRIDAZINE-SULFANYL) BENZOTHIAZOLES AND BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS MET, NR1I2, NCOR2 LMNA 4521/4885SMN1; SMN2 4306/4885KDM4E 2513/4885
US-20110257171-A1 NOVEL IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS MET INHIBITORS MET, ALK, RET LMNA 3880/4885SMN1; SMN2 4735/4885KDM4E 2089/4885
US-20100298315-A1 NOVEL 6-TRIAZOLOPYRIDAZINESULFANYL BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCTION THEREOF AND APPLICATION AS MEDICAMENTS AND PHARMNACEUTICAL COMPOSITIONS AND NOVEL USE AS MET INHIBITORS BMX, MET, TPMT LMNA 4741/4885SMN1; SMN2 4823/4885KDM4E 752/4885
US-20110263593-A1 NOVEL IMIDAZO[1,2-a]PYRIMIDINE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE, IN PARTICULAR AS MET INHIBITORS TPMT, MET, PAICS LMNA 4476/4885SMN1; SMN2 2888/4885KDM4E 2557/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.